SCHEMBL7769010

SCHEMBL7769010

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.68
ALDH1A1 P00352 1/20 0.68
ACER2 Q5QJU3 1/20 0.68
CERT1 Q9Y5P4 3/20 0.66
GPR88 Q9GZN0 1/20 0.54
RIPK1 Q13546 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8338663 1.00 ASAH1 (0.68) ASAH1ALDH1A1ACER2CERT1GPR88
SCHEMBL6570067 1.00 ASAH1 (0.68) ASAH1ALDH1A1ACER2CERT1GPR88
SCHEMBL7769012 1.00 ASAH1 (0.68) ASAH1ALDH1A1ACER2CERT1GPR88
SCHEMBL28217435 0.90 ASAH1 (0.66) ASAH1ALDH1A1ACER2CERT1
SCHEMBL9716121 0.87 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1
SCHEMBL9848504 0.87 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1
SCHEMBL27758299 0.85 ASAH1 (0.60) ASAH1ALDH1A1ACER2CERT1
SCHEMBL9716138 0.85 ASAH1 (0.61) ASAH1ALDH1A1ACER2CERT1
SCHEMBL9716117 0.85 ASAH1 (0.61) ASAH1ALDH1A1ACER2CERT1
SCHEMBL10844236 0.85 ASAH1 (0.60) ASAH1ALDH1A1ACER2CERT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
EP-0721446-B1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS WATERS CORP (US) 2001-07-18 EP disclosed
US-5990170-A POSSESSES A PROFILE OF ACTIVITY WHICH IS SIMILAR TO, THOUGH LESS POTENT THAN .DELTA.9-THC (TETRAHYDROCANNABINOL) WITH A MIMICKING OF THE PSYCHOACTIVE EFFECTS; ANALGESICS; SIDE EFFECT REDUCTION; CARDIOVASCULAR DISORDERS LIFEGROUP S.P.A. (IT) 1999-11-23 US disclosed
EP-0799033-A1 USE OF MONO AND BICARBOXYLIC ACID AMIDES FOR THE MANUFACTURE OF A MEDICAMENT ACTIVE AT THE PERIPHERAL CANNABINOID RECEPTOR LIFEGROUP S.p.A. (IT) 1997-10-08 EP disclosed
WO-1996018391-A2 USE OF MONO AND BICARBOXYLIC ACID AMIDES FOR THE MANUFACTURE OF A MEDICAMENT ACTIVE AT THE PERIPHERAL CANNABINOID RECEPTOR LIFEGROUP S.P.A. (IT) 1996-06-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ASAH1 218/4885ALDH1A1 3580/4885ACER2 239/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.